Information card for entry 7118417

Structure parameters

• Formula: C16 H23 F12 N3 Ru Sb2
• Calculated formula: C16 H23 F12 N3 Ru Sb2
• SMILES: [Ru]12345([N]#CC)([N]#CC)([N]#CC)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C.[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: An air-stable half-sandwich Ru(II) complex as an efficient catalyst for [3+2] annulation of 2-arylcyclo-2-enones with alkynes.
• Authors of publication: Zhao, Yinsong; He, Zhen; Li, Shiqing; Tang, Junbin; Gao, Ge; Lan, Jingbo; You, Jingsong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 25
• Pages of publication: 4613 - 4616
• a: 8.3829 ± 0.0003 Å
• b: 18.5671 ± 0.0005 Å
• c: 17.8534 ± 0.0006 Å
• α: 90°
• β: 98.919 ± 0.003°
• γ: 90°
• Cell volume: 2745.21 ± 0.16 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No